Chemical ID: 6046051

C#Cc1ccc(cc1)Cl
Chemical ID:
6046051
Name [?]:
1-chloro-4-ethynyl-benzene
SMILES [?]:
C#Cc1ccc(cc1)Cl
InChi [?]:
InChI=1/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,3,6,9/E:(3,4)(5,6)/rA:9nCCCCCCCCCl/rB:t1;s2;s3;d4;s5;d6;d3s7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5Cl
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.79494
Area:300.049
Solvation:-0.70629
Coulombic:-4.20782
Bond Count [?]
All:9
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:136.578
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.14
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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